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123409-00-7

123409-00-7 | Vancomycin, hydrochloride, hydrate (1:?:?)

CAS No: 123409-00-7 Catalog No: AG000KJ4 MDL No:

Product Description

Catalog Number:
AG000KJ4
Chemical Name:
Vancomycin, hydrochloride, hydrate (1:?:?)
CAS Number:
123409-00-7
IUPAC Name:
azane;N-[1-[4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-phenoxyphenyl]ethyl]acetamide;formic acid;methane;pentadecahydrate;dihydrochloride
InChI:
InChI=1S/C22H27NO7.CH2O2.43CH4.2ClH.8H3N.15H2O/c1-13(23-14(2)25)15-8-9-18(19(10-15)28-16-6-4-3-5-7-16)29-21-11-17(26)22(27)20(12-24)30-21;2-1-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-10,13,17,20-22,24,26-27H,11-12H2,1-2H3,(H,23,25);1H,(H,2,3);43*1H4;2*1H;8*1H3;15*1H2
InChI Key:
ARNOCQCQWLXLRG-UHFFFAOYSA-N

Properties

Complexity:
552  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
70  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1630.854g/mol
Formal Charge:
0
Heavy Atom Count:
101  
Hydrogen Bond Acceptor Count:
32  
Hydrogen Bond Donor Count:
30  
Isotope Atom Count:
0
Molecular Weight:
1632.721g/mol
Monoisotopic Mass:
1630.854g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0

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